Geometry & MOs

Info

ID:	68517
PubChem CID:	46508570
Reduced:	N2S2O4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	453.186398
ΔH_f, kcal/mol:	-118.91
Dipole, Da:	10.07
IP(EA), eV:	-8.77(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CN(CC2=CC=CS2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations